SCHEMBL19858550

SCHEMBL19858550

O=[SH](=O)Cc1ccc(N2CCC[C@H](O)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ SMARCA2 P51531 1/20 0.33
▸ SMARCA4 P51532 1/20 0.33
▸ PBRM1 Q86U86 1/20 0.33
▸ SMPD3 Q9NY59 2/20 0.32
▸ CHEK1 O14757 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20163184 0.82 LMNA (0.36) LMNAPDE3BPDE3ASMARCA2SMARCA4
SCHEMBL19858559 0.77 EPAS1 (0.42) LMNAPDE3BPDE3A
SCHEMBL18067976 0.77 EPAS1 (0.42) LMNAPDE3BPDE3A
SCHEMBL19870743 0.77 EPAS1 (0.42) LMNAPDE3BPDE3A
SCHEMBL19858575 0.72 EPAS1 (0.33) —
SCHEMBL20315388 0.64 LMNA (0.37) LMNA
SCHEMBL21362831 0.64 EPAS1 (0.46) —
SCHEMBL18048340 0.63 LMNA (0.36) LMNAPDE3BPDE3ASMARCA2SMARCA4
SCHEMBL19858568 0.63 LMNA (0.36) LMNAPDE3BPDE3ASMARCA2SMARCA4
SCHEMBL3435118 0.61 KEAP1 (0.58) LMNASMARCA2SMARCA4PBRM1SMPD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042884-A1 COMPOSITIONS FOR USE IN TREATING GLIOBLASTOMA PELOTON THERAPEUTICS, INC. 2018-02-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180042884-A1 COMPOSITIONS FOR USE IN TREATING GLIOBLASTOMA MGMT, NEFM, TUBB3 LMNA 1126/4885PDE3B 549/4885PDE3A 474/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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